2-N-[(4-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,2-diamine

C15H24N2O — CID 167008714

IUPAC2-N-[(4-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,2-diamine
SMILESCNC1CCCCC1NCc1ccc(OC)cc1
InChIInChI=1S/C15H24N2O/c1-16-14-5-3-4-6-15(14)17-11-12-7-9-13(18-2)10-8-12/h7-10,14-17H,3-6,11H2,1-2H3
InChIKeyWKOOLHAVCZXEFC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.32
Rot. Bonds5

About 2-N-[(4-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,2-diamine

2-N-[(4-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,2-diamine (PubChem CID 167008714) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-N-[(4-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,2-diamine
PubChem CID167008714
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-N-[(4-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,2-diamine
SMILESCNC1CCCCC1NCc1ccc(OC)cc1
InChIInChI=1S/C15H24N2O/c1-16-14-5-3-4-6-15(14)17-11-12-7-9-13(18-2)10-8-12/h7-10,14-17H,3-6,11H2,1-2H3
InChIKeyWKOOLHAVCZXEFC-UHFFFAOYSA-N
XLogP2.32
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223
cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 39345640
cis-(1R,2S)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 93317511
2-N-benzyl-1-N-methylcyclohexane-1,2-diamine
CID 149139761
2-N-[(5-methoxy-2-pyridinyl)methyl]-1-N-methylcyclohexane-1,2-diamine
CID 169307488
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 106364903
trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811
trans-(1R,2R)-2-[2-[(4-methoxyphenyl)methyl]hydrazinyl]cyclohexan-1-ol
CID 173186747
N-[(4-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43392190
2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 43734301
1-N-methyl-2-N-[(3-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 170325151

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,2-diamine (CID 167008714) is 2-N-[(4-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-[(4-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,2-diamine is CNC1CCCCC1NCc1ccc(OC)cc1.
What is the InChIKey of 2-N-[(4-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,2-diamine?
The InChIKey is WKOOLHAVCZXEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-16-14-5-3-4-6-15(14)17-11-12-7-9-13(18-2)10-8-12/h7-10,14-17H,3-6,11H2,1-2H3.
What are the key properties of 2-N-[(4-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,2-diamine?
2-N-[(4-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 167008714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).